[ CAS No. 107859-98-3 ] {[proInfo.proName]}

Name: 107859-98-3|Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate|95%
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SKU: A222082
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Quality Control of [ 107859-98-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 107859-98-3 ]

Product Details of [ 107859-98-3 ]

CAS No. :	107859-98-3	MDL No. :	MFCD09028871
Formula :	C₁₂H₁₆O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KAOHDELIEPQEBZ-UHFFFAOYSA-N
M.W :	208.25	Pubchem ID :	14839455
Synonyms :

Calculated chemistry of [ 107859-98-3 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.42
Num. rotatable bonds :	6
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	58.05
TPSA :	46.53 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.18
Log Po/w (XLOGP3) :	1.84
Log Po/w (WLOGP) :	1.52
Log Po/w (MLOGP) :	1.98
Log Po/w (SILICOS-IT) :	2.66
Consensus Log Po/w :	2.04

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.19
Solubility :	1.34 mg/ml ; 0.00645 mol/l
Class :	Soluble
Log S (Ali) :	-2.44
Solubility :	0.76 mg/ml ; 0.00365 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.52
Solubility :	0.0623 mg/ml ; 0.000299 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.54

Safety of [ 107859-98-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 107859-98-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 107859-98-3 ]
Downstream synthetic route of [ 107859-98-3 ]

[ 107859-98-3 ] Synthesis Path-Upstream 1~7

1
[ 51828-89-8 ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
76%	With palladium 10% on activated carbon; hydrogen In ethanol for 2 h;	(B) A mixture of (E)-ethyl 3-(4-formylphenyl)acrylate (2 g, 9.79 mmol), Pd/C (1 g, 10percent wt) and ethanol (50 mL) was hydrogenated at 3.5 atm for 2 h, then filtered. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (0-15percent EtOAc/petroleum ether) to provide ethyl 3-(4- (hydroxymethyl)phenyl)propanoate (1.54 g, 76 percent) as a colorless liquid. LC/MS: mass calcd. for C₁₂H₁₆O₃: 208.25, found: 191.0 [M-OH]⁺.
76%	With palladium 10% on activated carbon; hydrogen In ethanol for 2 h;	(B) A mixture of (E)-ethyl 3-(4-formylphenyl)acrylate (2 g, 9.79 mmol), Pd/C (1 g, 10percent wt) and ethanol (50 mL) was hydrogenated at 3.5 atm for 2 h, then filtered. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (0-15percent EtOAc/petroleum ether) to provide ethyl 3-(4-(hydroxymethyl)phenyl)propanoate (1.54 g, 76percent) as a colorless liquid. LC/MS: mass calcd. for C₁₂H₁₆O₃: 208.25, found: 191.0 [M-OH]⁺.

Reference： [1] Patent: WO2016/57731, 2016, A1, . Location in patent: Page/Page column 173
[2] Patent: US2017/290800, 2017, A1, . Location in patent: Paragraph 0728
[3] Patent: EP1785421, 2007, A1, . Location in patent: Page/Page column 36

2
[ 445483-72-7 ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
85.59%	With sodium tetrahydroborate In tetrahydrofuran; methanol at 0℃; for 1 h;	To a solution of reagent KR-40 (2.2 g, 10.68 mmol) in THF/MeOH (30 mL/1 0mL) was added NaBH4 (619 mg, 16.29 mmol) in portions at 0°C, then the reaction mixture was stirred at 0°C for 1 hr until TLC showed the starting material was consumed completely, then the mixture was extracted with DCM, the organic layer was washed with brine, dried over anhydrous Na2SO4, concentrated to give reagent KR-41 (1 .93 g, 85.59percent) as a pale yellow oilwhich was used for next step directly. ES I-MS (Mi-i): 209 calc. for C12H1603:208.1.

Reference： [1] Journal of Medicinal Chemistry, 2016, vol. 59, # 19, p. 8967 - 9004
[2] Patent: WO2014/131855, 2014, A1, . Location in patent: Page/Page column 64

3
[ 864653-88-3 ]
[ 107859-98-3 ]

Reference： [1] Patent: WO2005/75438, 2005, A1, . Location in patent: Page/Page column 22

4
[ 7560-50-1 ]
[ 107859-98-3 ]

Reference： [1] Patent: US4803211, 1989, A,

5
[ 1122-91-4 ]
[ 107859-98-3 ]

Reference： [1] Patent: WO2014/131855, 2014, A1,
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 19, p. 8967 - 9004

6
[ 3054-95-3 ]
[ 107859-98-3 ]

Reference： [1] Patent: WO2014/131855, 2014, A1,
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 19, p. 8967 - 9004

7
[ 1122-91-4 ]
[ 140-88-5 ]
[ 107859-98-3 ]

Reference： [1] Patent: WO2016/57731, 2016, A1,
[2] Patent: US2017/290800, 2017, A1,

[ 107859-98-3 ] Synthesis Path-Downstream 1~16

2
[ 107859-98-3 ]
3-(4-chloromethylphenyl)propionic acid ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With methanesulfonyl chloride; triethylamine; In dichloromethane; at 20℃; for 18.0h;	To a stirred solution of [3- (4-HYDROXYMETHYLPHENYL)] propionic acid ethyl ester (P5,2. 9 g, 13.9 [MMOL)] in triethylamine (4.0 mL, 27.8 [MMOL)] and [DICHLOROMETHANE] (30 mL) was slowly added at [0C] [MESYL] chloride (1.6 mL, 20.9 [MMOL).] The solution was stirred at room temperature for 18 hours, then the solution was washed with [1N] aqueous hydrochloric acid. The organic phase was dried (anhydrous magnesium sulfate) and concentrated to afford the title compound as an oil.
	With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 20℃; for 18.0h;	Preparation 3; 3- (4-Chloromethylphenyl) propionic acid ethyl ester (P3); To a stirred solution of 3- (4-hydroxymethylphenyl) propionic acid ethyl ester (P2,2. 9 g, 13.9 mmol) in triethylamine (4.0 mL, 27.8 mmol) and dichloromethane (30 mL) was slowly added at 0C methanesulfonyl chloride (1.6 mL, 20.9 mmol). The solution was stirred at room temperature for 18 hours, then the solution was washed with 1 N aqueous hydrochloric acid. The organic phase was dried (anhydrous magnesium sulfate) and concentrated to afford the title compound as an oil.

Reference： [1]Patent: WO2004/14859,2004,A2 .Location in patent: Page 23
[2]Patent: WO2005/75438,2005,A1 .Location in patent: Page/Page column 22

3
3-(4-hydroxymethylphenyl)acrylicacid ethyl ester [ No CAS ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen;palladium on activated charcoal; In ethanol; for 4.0h;	[3- (4-HYDROXYMETHYLPHENYL) ACRYLIC] acid ethyl ester (P4,3 [G,] 14.5 [MMOL)] and palladium on charcoal (0.3 g) in ethanol (30 mL) was stirred for 4 hours under atmospheric pressure of hydrogen. The reaction mixture was filtered through celite (Diatomaceous Earth) and concentrated to afford the title compound as an oil.

Reference： [1]Patent: WO2004/14859,2004,A2 .Location in patent: Page 23

4
[ 864653-88-3 ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen;palladium on activated charcoal; In ethanol; at 20℃; under 760.051 Torr; for 4.0h;	Preparation 2; 3- (4-Hydroxymethylphenyl) propionic acid ethyl ester (P2); 3- (4-Hydroxymethylphenyl) acrylic acid ethyl ester (P1, 3 g, 14.5 mmol) and palladium on charcoal (0.3 g) in ethanol (30 mL) was stirred for 4 hours under atmospheric pressure of hydrogen. The reaction mixture was filtered through Celite (Diatomaceous Earth) and concentrated to afford the title compound as an oil.

Reference： [1]Patent: WO2005/75438,2005,A1 .Location in patent: Page/Page column 22

5
[ 7560-50-1 ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium borohydrid;palladium-carbon; In tetrahydrofuran; ethanol; ethyl acetate;	STR69 To a solution of 3.8 g of methyl p-formylcinnamate obtained in Reference Example 10 in 30 ml of ethanol and 10 ml of tetrahydrofuran was added 0.1 g of 10% palladium-carbon. Catalytic reduction was performed at normal temperature under normal pressure until absorption of hydrogen was ceased. The catalyst was removed by filtration and, 1 g of sodium borohydride was added to the filtrate followed by stirring at room temperature overnight. The reaction mixture was concentrated under reduced pressure and 200 ml of ethyl acetate was added to the concentrate. The system was washed with water, dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give 3.5 g of oily ethyl 3-(p-hydroxymethylphenyl)propionate. Nuclear magnetic resonance spectrum (in CDCl3, TMS internal standard, ppm): 1.20(t,3H), 2.4-2.76(m,2H), 2.76-3.10(m,2H), 4.10(q,2H), 4.62(brs,2H), 7.0-7.40(m,4H)

Reference： [1]Patent: US4803211,1989,A

6
[ 107859-98-3 ]
[ 107-30-2 ]
[ 878478-66-1 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tetrahydrofuran; at 20℃; for 24.0h;	Example 40 Ethyl 3-{4-[(methoxymethoxy)methyl]phenyl}propanoate A tetrahydrofuran solution (16 mL) of the compound (1.64 g) as produced in Example 2 was admixed with triethylamine (1.6 mL) and chloromethylmethylether (0.71 mL), followed by stirring at room temperature for one day. The reaction mixture was diluted with ethyl acetate, and the organic layer was washed with water and an aqueous saturated sodium chloride solution, dried over anhydrous sodium sulfate and concentrated. The resultant residue was purified on a silica gel column chromatography (n-hexane:ethyl acetate = 4:1) to give the subject title compound (1.47 g) showing the below-described physico-chemical values. TLC: Rf 0.43 (n-hexane:ethyl acetate = 3:1); 1H-NMR (CDCl3): d 1.24, 2.57-2.65, 2.95, 3.41, 4.13, 4.56, 4.70, 7.19, 7.28.

Reference： [1]Patent: EP1785421,2007,A1 .Location in patent: Page/Page column 50

7
[ 107859-98-3 ]
[ 56703-35-6 ]

Yield	Reaction Conditions	Operation in experiment
27%	With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 20℃;	To a solution of reagent KR-4i (1 .93 g, 9.28 mmol) in anhydrous DOM (30 mL) was added PPh3 (1.19 g, 3.71 mmol), then the mixture was cooled to0C, NBS (1.96 g, 11.14 mmol) was added at 0C, then the mixture was stirred at room temperature overnight. After LC-MS showed the starting material was consumed completely, the mixture was extracted with DOM, the organic layer was washed with brine, dried over anhydrous Na2SO4, concentrated to give a crude which was purified by column chromatographyto give pure reagent R-i in (680 mg, 27% yield) as a pale yellow oil. ESI-MS (Mi-i): 271 calc. for Ci2Hi5BrO2: 270.0.
	With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20℃; for 0.5h;	Example 3 Ethyl 3-[4-(bromomethyl)phenyl]propanoate Carbon tetrabromide (1.27 g) and triphenylphosphine (805 mg) were added to a methylene chloride solution (5 mL) of the compound (533 mg) as produced in Example 2, followed by stirring at room temperature for 30 min. An aqueous saturated sodium hydrogencarbonate solution was added to the reaction mixture, and extraction was effected with ethyl acetate. The organic layer was washed with an aqueous saturated sodium chloride solution, dried over anhydrous sodium sulfate and concentrated. The resultant residue was purified on a silica gel column chromatography (n-hexane:ethyl acetate = 9:1) to give the subject title compound (667 mg) showing the following physico-chemical values: TLC: Rf 0.61 (n-hexane:ethyl acetate = 4:1); 1H-NMR (CDCl3): d 1.23, 2.61, 2.94, 4.13, 4.48, 7.18, 7.32.

Reference： [1]Patent: WO2014/131855,2014,A1 .Location in patent: Page/Page column 73
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004
[3]Patent: EP1785421,2007,A1 .Location in patent: Page/Page column 36

8
[ 51828-89-8 ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
76%	With palladium 10% on activated carbon; hydrogen; In ethanol; under 2660.18 Torr; for 2.0h;	(B) A mixture of (E)-ethyl 3-(4-formylphenyl)acrylate (2 g, 9.79 mmol), Pd/C (1 g, 10% wt) and ethanol (50 mL) was hydrogenated at 3.5 atm for 2 h, then filtered. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (0-15% EtOAc/petroleum ether) to provide ethyl 3-(4- (hydroxymethyl)phenyl)propanoate (1.54 g, 76 %) as a colorless liquid. LC/MS: mass calcd. for C12H16O3: 208.25, found: 191.0 [M-OH]+.
76%	With palladium 10% on activated carbon; hydrogen; In ethanol; under 2660.18 Torr; for 2.0h;	(B) A mixture of (E)-ethyl 3-(4-formylphenyl)acrylate (2 g, 9.79 mmol), Pd/C (1 g, 10% wt) and ethanol (50 mL) was hydrogenated at 3.5 atm for 2 h, then filtered. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (0-15% EtOAc/petroleum ether) to provide ethyl 3-(4-(hydroxymethyl)phenyl)propanoate (1.54 g, 76%) as a colorless liquid. LC/MS: mass calcd. for C12H16O3: 208.25, found: 191.0 [M-OH]+.
	With hydrogen;palladium 10% on activated carbon; In ethanol; at 20℃; for 4.0h;	Example 2 Ethyl 3-[4-(hydroxymethyl)phenyl]propanoate 10 % Palladium carbon (70 mg) was added to an ethanol solution (15 mL) of the compound (1.44 g), as produced in Example 1, under an argon atmosphere, followed by stirring at room temperature for 4 hours under a hydrogen atmosphere. The reaction mixture was filtered through Cellite (the registered trademark), and the filtrate was concentrated. The resultant residue was purified on a silica-gel column chromatography (n-hexane:ethyl acetate = 4:1) to give the subject title compound (1.35 g) showing the following physico-chemical values: TLC: Rf 0.12 (n-hexane:ethyl acetate = 4:1); 1H-NMR (CDCl3): d1.24, 1.61, 2.61, 2.95, 4.13, 4.66, 7.20, 7.29.

Reference： [1]Patent: WO2016/57731,2016,A1 .Location in patent: Page/Page column 173
[2]Patent: US2017/290800,2017,A1 .Location in patent: Paragraph 0728
[3]Patent: EP1785421,2007,A1 .Location in patent: Page/Page column 36

9
[ 445483-72-7 ]
[ 107859-98-3 ]

Yield	Reaction Conditions	Operation in experiment
85.59%	With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0℃; for 1.0h;	To a solution of reagent KR-40 (2.2 g, 10.68 mmol) in THF/MeOH (30 mL/1 0mL) was added NaBH4 (619 mg, 16.29 mmol) in portions at 0C, then the reaction mixture was stirred at 0C for 1 hr until TLC showed the starting material was consumed completely, then the mixture was extracted with DCM, the organic layer was washed with brine, dried over anhydrous Na2SO4, concentrated to give reagent KR-41 (1 .93 g, 85.59%) as a pale yellow oilwhich was used for next step directly. ES I-MS (Mi-i): 209 calc. for C12H1603:208.1.

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004
[2]Patent: WO2014/131855,2014,A1 .Location in patent: Page/Page column 64

10
[ 1122-91-4 ]
[ 107859-98-3 ]

Reference： [1]Patent: WO2014/131855,2014,A1
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004

11
[ 3054-95-3 ]
[ 107859-98-3 ]

Reference： [1]Patent: WO2014/131855,2014,A1
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004

12
[ 1122-91-4 ]
[ 140-88-5 ]
[ 107859-98-3 ]

Reference： [1]Patent: WO2016/57731,2016,A1
[2]Patent: US2017/290800,2017,A1

13
[ 107859-98-3 ]
ethyl 3-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]phenyl]propanoate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004

14
[ 107859-98-3 ]
3-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]phenyl]propanoic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004

15
[ 107859-98-3 ]
3-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]phenyl]-N-tetrahydropyran-2-yloxypropanamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004

16
[ 107859-98-3 ]
3-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]phenyl]propanehydroxamic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8967 - 9004

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
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P281	Use personal protective equipment as required.
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P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
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P378
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P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 107859-98-3 ] {[proInfo.proName]}

Quality Control of [ 107859-98-3 ]

Related Doc. of [ 107859-98-3 ]

Product Details of [ 107859-98-3 ]

Calculated chemistry of [ 107859-98-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 107859-98-3 ]

Application In Synthesis of [ 107859-98-3 ]

[ 107859-98-3 ] Synthesis Path-Upstream 1~7

[ 107859-98-3 ] Synthesis Path-Downstream 1~16

Related Functional Groups of [ 107859-98-3 ]

Aryls

Alcohols

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 107859-98-3 ]